Vitas-M small molecule compound
propan-2-yl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK421408
SMILES CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)c1ccc2c(c1)OCO2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H23NO5S MW 401.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO5S/c1-11(2)27-21(24)18-14-6-4-12(3)8-17(14)28-20(18)22-19(23)13-5-7-15-16(9-13)26-10-25-15/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,22,23)InChIKey
CDVIOIUEUDWKNW-UHFFFAOYSA-NSynonyms
329221-88-7329221887
CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H23NO5Sc111(2)2721(24)18146412(3)817(14)2820(18)2219(23)13571516(913)26102515h5791112H46810H213H3(H2223)
MFCD01243573
propan2yl2((13benzodioxol5ylcarbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
propan2yl2(13benzodioxole5carbonylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
ZINC000001088606
ZINC000001088607
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